SCHEMBL3148014

SCHEMBL3148014

CNC(C)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.44
KLKB1 P03952 2/20 0.43
PDPK1 O15530 1/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
FURIN P09958 1/20 0.40
NAMPT P43490 3/20 0.40
XIAP P98170 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CPB2 Q96IY4 1/20 0.37
HDAC1 Q13547 1/20 0.37
MET P08581 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTRA1 Q92743 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3147989 1.00 MASP2 (0.44) MASP2KLKB1PDPK1PSMB1PSMB5
SCHEMBL1431871 1.00 MASP2 (0.44) MASP2KLKB1PDPK1PSMB1PSMB5
SCHEMBL1432007 0.89 NAMPT (0.46) MASP2KLKB1FURINNAMPTCPB2
SCHEMBL3138559 0.89 NAMPT (0.46) MASP2KLKB1FURINNAMPTCPB2
SCHEMBL1431860 0.89 NAMPT (0.46) MASP2KLKB1FURINNAMPTCPB2
SCHEMBL1902458 0.88 PSMB1 (0.43) MASP2KLKB1PDPK1PSMB1PSMB5
SCHEMBL1906175 0.88 PSMB1 (0.43) MASP2KLKB1PDPK1PSMB1PSMB5
SCHEMBL1899808 0.88 PSMB1 (0.43) MASP2KLKB1PDPK1PSMB1PSMB5
SCHEMBL1432022 0.88 MME (0.43) MASP2KLKB1PDPK1PSMB1PSMB5
SCHEMBL1432562 0.88 MME (0.43) MASP2KLKB1PDPK1PSMB1PSMB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 MASP2 3039/4885KLKB1 3491/4885PDPK1 1972/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.